CID 56990247

1706448-90-9

Structural Information

Molecular Formula
C14H25NO4
SMILES
CC(C)(C)OC(=O)NC1(CCCCC1)CCC(=O)O
InChI
InChI=1S/C14H25NO4/c1-13(2,3)19-12(18)15-14(10-7-11(16)17)8-5-4-6-9-14/h4-10H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
UANZWVXYAMRWAD-UHFFFAOYSA-N
Compound name
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

271.17834 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.185616 165.3
[M+Na]+ 294.167558 167.7
[M-H]- 270.171064 166.1
[M+NH4]+ 289.212163 182.3
[M+K]+ 310.141498 167.1
[M+H-H2O]+ 254.175600 160.4
[M+HCOO]- 316.176541 181.1
[M+CH3COO]- 330.192191 196.0
[M+Na-2H]- 292.153006 167.8
[M]+ 271.17779142 162.9
[M]- 271.17888858 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe